Information card for entry 4109384

Structure parameters

• Formula: C36.5 H79 Mo6 N3 O18
• Calculated formula: C36.5 H79 Mo6 N3 O18
• Title of publication: Unexpected CC Bond Formation via Doubly Dehydrogenative Coupling of Two Saturated sp3 C-H Bonds Activated with a Polymolybdate
• Authors of publication: Qiang Li; Yongge Wei; Jian Hao; Yulin Zhu; Longsheng Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 5810 - 5811
• a: 11.875 ± 0.002 Å
• b: 12.894 ± 0.003 Å
• c: 18.939 ± 0.004 Å
• α: 76.39 ± 0.03°
• β: 89.96 ± 0.03°
• γ: 80.54 ± 0.03°
• Cell volume: 2777.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1313
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No